SCHEMBL8008669

SCHEMBL8008669

O=C1CCCCC1C(=O)Nc1cccc(Br)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 1/20 0.61
CASP6 P55212 1/20 0.61
CASP8 Q14790 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CYP1A2 P05177 1/20 0.58
RECQL P46063 1/20 0.58
GAA P10253 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
MCL1 Q07820 1/20 0.47
TP53 P04637 1/20 0.46
GRM5 P41594 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TGM2 P21980 1/20 0.46
F2R P25116 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6070016 0.96 CYP1A2 (0.63) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL2151177 0.80 GRK2 (0.68) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL7722861 0.79 CYP1A2 (0.63) TDP1CYP1A2RECQLGAAALDH1A1
SCHEMBL29140365 0.78 CYP1A2 (0.61) CASP6CYP1A2RECQLALDH1A1KMT2A
SCHEMBL3926664 0.77 GRK2 (0.64) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL10742560 0.77 CYP1A2 (0.68) TDP1L3MBTL1CYP1A2RECQLGAA
SCHEMBL7726536 0.76 CYP1A2 (0.62) CYP1A2RECQLALDH1A1MAPTKMT2A
SCHEMBL28153265 0.75 EPHX1 (0.52) CYP1A2RECQLALDH1A1KMT2AMCL1
SCHEMBL6560372 0.75 GRK2 (0.48) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL28431130 0.72 GRK2 (0.58) GRK2CASP6CASP8CTDSP1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598396-B2 Tetrahydrophenanthridinones and tetrahydrocyclopentaquinolinones as PARP and tubulin polymerization inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-03-21 US disclosed
US-9598396-B2 Tetrahydrophenanthridinones and tetrahydrocyclopentaquinolinones as PARP and tubulin polymerization inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-03-21 US disclosed
US-20150353526-A1 TETRAHYDROPHENANTHRIDINONES AND TETRAHYDROCYCLOPENTAQUINOLINONES AS PARP AND TUBULIN POLYMERIZATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 US disclosed
US-20150353526-A1 TETRAHYDROPHENANTHRIDINONES AND TETRAHYDROCYCLOPENTAQUINOLINONES AS PARP AND TUBULIN POLYMERIZATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 US disclosed
US-9150540-B2 Tetrahydrophenanthridinones and tetrahydrocyclopentaquinolinones as parp and tubulin polymerization inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-10-06 US disclosed
US-9150540-B2 Tetrahydrophenanthridinones and tetrahydrocyclopentaquinolinones as parp and tubulin polymerization inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-10-06 US disclosed
US-20150038521-A1 TETRAHYDROPHENANTHRIDINONES AND TETRAHYDROCYCLOPENTAQUINOLINONES AS PARP AND TUBULIN POLYMERIZATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-02-05 US disclosed
US-20150038521-A1 TETRAHYDROPHENANTHRIDINONES AND TETRAHYDROCYCLOPENTAQUINOLINONES AS PARP AND TUBULIN POLYMERIZATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-02-05 US disclosed
EP-2271626-B1 TETRAHYDROPHENANTHRIDINONES AND TETRAHYDROCYCLOPENTAQUINOLINONES AS PARP AND TUBULIN POLYMERIZATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-11-26 EP disclosed
US-8889866-B2 Tetrahydrophenanthridinones and tetrahydrocyclopentaquinolinones as PARP and tubulin polymerization inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-11-18 US disclosed
US-8889866-B2 Tetrahydrophenanthridinones and tetrahydrocyclopentaquinolinones as PARP and tubulin polymerization inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-11-18 US disclosed
US-20110263622-A1 TETRAHYDROPHENANTHRIDINONES AND TETRAHYDROCYCLOPENTAQUINOLINONES AS PARP AND TUBULIN POLYMERIZATION INHIBITORS JANSSEN-CILAG (BE) 2011-10-27 US disclosed
US-20110263622-A1 TETRAHYDROPHENANTHRIDINONES AND TETRAHYDROCYCLOPENTAQUINOLINONES AS PARP AND TUBULIN POLYMERIZATION INHIBITORS JANSSEN-CILAG (BE) 2011-10-27 US disclosed
WO-2009118382-A1 TETRAHYDROPHENANTHRIDINONES AND TETRAHYDROCYCLOPENTAQUINOLINONES AS PARP AND TUBULIN POLYMERIZATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-10-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110263622-A1 TETRAHYDROPHENANTHRIDINONES AND TETRAHYDROCYCLOPENTAQUINOLINONES AS PARP AND TUBULIN POLYMERIZATION INHIBITORS PARP1, PARP15, PARP11 GRK2 1231/4885CASP6 1250/4885CASP8 2151/4885
US-20150353526-A1 TETRAHYDROPHENANTHRIDINONES AND TETRAHYDROCYCLOPENTAQUINOLINONES AS PARP AND TUBULIN POLYMERIZATION INHIBITORS PARP1, PARP15, PARP11 GRK2 1231/4885CASP6 1250/4885CASP8 2151/4885
US-20150038521-A1 TETRAHYDROPHENANTHRIDINONES AND TETRAHYDROCYCLOPENTAQUINOLINONES AS PARP AND TUBULIN POLYMERIZATION INHIBITORS PARP1, PARP15, PARP11 GRK2 1231/4885CASP6 1250/4885CASP8 2151/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.